ChemSpider 2D Image | N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine | C37H75N2O6P

N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine

  • Molecular FormulaC37H75N2O6P
  • Average mass674.975 Da
  • Monoisotopic mass674.536255 Da
  • ChemSpider ID58170360
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-hexadecen-1-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-hexadecen-1-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[[(2S,3R,4E)-3-hydroxy-2-[(1-oxohexadecyl)amino]-4-hexadecen-1-yl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
N-(hexadecanoyl)hexadecasphingosine-1-phosphocholine
Phosphate de (2S,3R,4E)-3-hydroxy-2-(palmitoylamino)-4-hexadécén-1-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyhexadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
N-(hexadecanoyl)-C16-sphingosine-1-phosphocholine
N-(hexadecanoyl)-hexadecasphing-4-enine-1-phosphocholine
N-(palmitoyl)-C16-sphingosine-1-phosphocholine
N-(palmitoyl)hexadecasphingosine-1-phosphocholine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 2
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 7.54
ACD/BCF (pH 5.5): 442160.84
ACD/KOC (pH 5.5): 566500.81
ACD/LogD (pH 7.4): 7.54
ACD/BCF (pH 7.4): 442175.91
ACD/KOC (pH 7.4): 566520.06
Polar Surface Area: 118 Å2
Polarizability:
Surface Tension:
Molar Volume:

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